2-[[1-(phenylmethoxycarbonylamino)cyclopropyl]carbonyl-pyrrolidin-2-ylcarbonyl-amino]butanedioic acid

Systemtic Name: 2-[[1-(phenylmethoxycarbonylamino)cyclopropyl]carbonyl-pyrrolidin-2-ylcarbonyl-amino]butanedioic acid Openeye Name: 2-[[1-(benzyloxycarbonylamino)cyclopropanecarbonyl]-(pyrrolidine-2-carbonyl)amino]butanedioic acid CAS Name: 2-[[oxo-[1-(phenylmethoxycarbonylamino)cyclopropyl]methyl]-[oxo(2-pyrrolidinyl)methyl]amino]butanedioic acid IUPAC Name: 2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]-(pyrrolidine-2-carbonyl)amino]butanedioic acid Traditional Name: 2-[[1-(benzyloxycarbonylamino)cyclopropanecarbonyl]-prolyl-amino]succinic acid Formula: C21H25N3O8 MolecularWeight: 447.4385

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N(C(CC(=O)O)C(=O)O)C(=O)C2(CC2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC(NC1)C(=O)N(C(CC(=O)O)C(=O)O)C(=O)C2(CC2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O8/c25-16(26)11-15(18(28)29)24(17(27)14-7-4-10-22-14)19(30)21(8-9-21)23-20(31)32-12-13-5-2-1-3-6-13/h1-3,5-6,14-15,22H,4,7-12H2,(H,23,31)(H,25,26)(H,28,29)